9 citations · 22 across the 6 of their papers we have counts for
6 papers
MolHF: A Hierarchical Normalizing Flow for Molecular Graph Generation
Yiheng Zhu, Zhenqiu Ouyang, Ben Liao +5
Molecular de novo design is a critical yet challenging task in scientific fields, aiming to design novel molecular structures with desired property profiles. Significant progress h…
ODBO: Bayesian Optimization with Search Space Prescreening for Directed Protein Evolution
Lixue Cheng, Ziyi Yang, Changyu Hsieh +2
Directed evolution is a versatile technique in protein engineering that mimics the process of natural selection by iteratively alternating between mutagenesis and screening in orde…
Retroformer: Pushing the Limits of Interpretable End-to-end Retrosynthesis Transformer
Yue Wan, Benben Liao, Chang-Yu Hsieh +1
Retrosynthesis prediction is one of the fundamental challenges in organic synthesis. The task is to predict the reactants given a core product. With the advancement of machine lear…
Learning Large-scale Network Embedding from Representative Subgraph
Junsheng Kong, Weizhao Li, Ben Liao +6
We study the problem of large-scale network embedding, which aims to learn low-dimensional latent representations for network mining applications. Recent research in the field of n…
Fast Extraction of Word Embedding from Q-contexts
Junsheng Kong, Weizhao Li, Zeyi Liu +5
The notion of word embedding plays a fundamental role in natural language processing (NLP). However, pre-training word embedding for very large-scale vocabulary is computationally…
A Matrix Chernoff Bound for Markov Chains and Its Application to Co-occurrence Matrices
Jiezhong Qiu, Chi Wang, Ben Liao +2
We prove a Chernoff-type bound for sums of matrix-valued random variables sampled via a regular (aperiodic and irreducible) finite Markov chain. Specially, consider a random walk o…